CID 552159

10-[1,3]dioxolan-2-yltricyclo[4.2.1.1(2,5)]deca-3,7-dien-9-one

Structural Information

Molecular Formula
C13H14O3
SMILES
C1COC(O1)C2C3C=CC2C4C=CC3C4=O
InChI
InChI=1S/C13H14O3/c14-12-9-3-4-10(12)8-2-1-7(9)11(8)13-15-5-6-16-13/h1-4,7-11,13H,5-6H2
InChIKey
WZMSFTOPMGYLKL-UHFFFAOYSA-N
Compound name
10-(1,3-dioxolan-2-yl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.101576 145.0
[M+Na]+ 241.083518 153.1
[M-H]- 217.087024 152.2
[M+NH4]+ 236.128123 169.3
[M+K]+ 257.057458 152.2
[M+H-H2O]+ 201.091560 142.9
[M+HCOO]- 263.092501 162.9
[M+CH3COO]- 277.108151 158.8
[M+Na-2H]- 239.068966 147.8
[M]+ 218.09375142 146.5
[M]- 218.09484858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.